Dichlorine monoxide
- Formula: Cl2O
- Molecular weight: 86.905
- IUPAC Standard InChIKey: RCJVRSBWZCNNQT-UHFFFAOYSA-N
- CAS Registry Number: 7791-21-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Chlorine oxide (Cl2O); Chlorine monooxide; Dichloromonoxide; Chlorine monoxide; Chlorine monoxide (Cl2O); Dichloroxide; Hypochlorous anhydride; Cl2O; Chlorine oxide; Dichlorine oxide
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 21.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1992 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 64.027 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1992 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 6000. |
---|---|
A | 13.45350 |
B | 0.386572 |
C | -0.104248 |
D | 0.008869 |
E | -0.195878 |
F | 16.31590 |
G | 79.09670 |
H | 21.00000 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1992 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.91 ± 0.02 | eV | N/A | N/A | L |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.30 ± 0.43 | ECD | Wecker, Christodoulides, et al., 1981 | G3MP2B3 calculations indicate an EA of ca. 2.4 eV; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.909 ± 0.016 | PI | Thorn, Stief, et al., 1996 | LL |
10.94 | PE | Cornford, Frost, et al., 1971 | LLK |
11.2 ± 0.1 | EI | Fisher, 1968 | RDSH |
11.02 | PE | Chadwick, Cornford, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
ClO+ | 12.296 ± 0.032 | O | PI | Thorn, Stief, et al., 1996 | LL |
ClO+ | 12.5 ± 0.1 | Cl | EI | Fisher, 1968 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Wecker, Christodoulides, et al., 1981
Wecker, D.; Christodoulides, A.A.; Schnidler, R.N.,
Studies by the Electron Cyclotron Resonance (ECR) Technique. XV. Interactions of Thermal-Energy Electrons with ClO2 and Cl2O,
Int. J. Mass Spectrom. Ion Phys., 1981, 38, 2-3, 291, https://doi.org/10.1016/0020-7381(81)80084-8
. [all data]
Thorn, Stief, et al., 1996
Thorn, R.P., Jr.; Stief, L.J.; Kuo, S.-C.; Klemm, R.B.,
Ionization energy of Cl2O and ClO, appearance energy of ClO+(Cl2O), and heat of formation of Cl2O,
J. Phys. Chem., 1996, 100, 14178. [all data]
Cornford, Frost, et al., 1971
Cornford, A.B.; Frost, D.C.; Herring, F.G.; McDowell, C.A.,
Photoelectron spectra of F2O and Cl2O,
J. Chem. Phys., 1971, 55, 2820. [all data]
Fisher, 1968
Fisher, I.P.,
Intermediates in the pyrolysis and mass spectrometry of chlorine monoxide and chlorine heptoxide,
J. Chem. Soc. Faraday Trans., 1968, 64, 1852. [all data]
Chadwick, Cornford, et al., 1972
Chadwick, D.; Cornford, A.B.; Frost, D.C.; Herring, F.G.; Katrib, A.; McDowell, C.A.; McLean, R.A.N.,
Photoelectron spectra of some dihalocompounds
in Electron spectroscopy, ed. D.A. Shirley (North-Holland Publixhing Co, Amsterdam), 1972, 453. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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